methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate

C12H13NO4 — CID 117053862

IUPACmethyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate
SMILESCOC(=O)c1ccccc1OC1CCNC1=O
InChIInChI=1S/C12H13NO4/c1-16-12(15)8-4-2-3-5-9(8)17-10-6-7-13-11(10)14/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeySKJPDAVZKUDTQG-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.74
Rot. Bonds3

About methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate

methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate (PubChem CID 117053862) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate
PubChem CID117053862
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namemethyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate
SMILESCOC(=O)c1ccccc1OC1CCNC1=O
InChIInChI=1S/C12H13NO4/c1-16-12(15)8-4-2-3-5-9(8)17-10-6-7-13-11(10)14/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeySKJPDAVZKUDTQG-UHFFFAOYSA-N
XLogP0.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-acetylphenoxy)pyrrolidin-2-one
CID 117051792
2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 67487822
methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate
CID 86322513
methyl 2-cyclohexyloxybenzoate
CID 11345342
methyl 2-(4-hydroxycyclohexyl)oxybenzoate
CID 117053868
methyl 2-(thian-4-yloxy)benzoate
CID 117053874
methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
CID 117053875
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 117053782
2-(2-oxopyrrolidin-3-yl)oxypyridine-3-carboxylic acid
CID 117096496
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate
CID 90091831

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate?
The IUPAC name of methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate (CID 117053862) is methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate.
What is the SMILES notation for methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate?
The canonical SMILES for methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate is COC(=O)c1ccccc1OC1CCNC1=O.
What is the InChIKey of methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate?
The InChIKey is SKJPDAVZKUDTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-16-12(15)8-4-2-3-5-9(8)17-10-6-7-13-11(10)14/h2-5,10H,6-7H2,1H3,(H,13,14).
What are the key properties of methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate?
methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate has a molecular weight of 235.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate is sourced from PubChem (CID 117053862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).